(Q105155226)

English

10-hydroxy-11-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₉H₅₄O₆

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

618.392039448 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₄O₆

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canonical SMILES

O=C(OC1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O)C=CC6=CC=C(O)C=C6

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found in taxon

Psidium

1 reference

stated in

Triterpenoids from the leaves of Psidium guajava

Identifiers

InChI

InChI=1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(33(42)35(3,4)29(36)17-18-38(30,37)7)45-31(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40,42H,14,16-22H2,1-7H3,(H,43,44)

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InChIKey

LPLNPAQMNWFTAI-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105155226)

10-hydroxy-11-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Statements

Identifiers

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